(2R,4S)-4-(2-chlorophenyl)sulfonyl-2-(hydrazinecarbonyl)pyrrolidine-1-carboxylic acid

C12H14ClN3O5S — CID 140580366

IUPAC(2R,4S)-4-(2-chlorophenyl)sulfonyl-2-(hydrazinecarbonyl)pyrrolidine-1-carboxylic acid
SMILESNNC(=O)[C@H]1C[C@H](S(=O)(=O)c2ccccc2Cl)CN1C(=O)O
InChIInChI=1S/C12H14ClN3O5S/c13-8-3-1-2-4-10(8)22(20,21)7-5-9(11(17)15-14)16(6-7)12(18)19/h1-4,7,9H,5-6,14H2,(H,15,17)(H,18,19)/t7-,9+/m0/s1
InChIKeyLFHHGGHCCWPFRE-IONNQARKSA-N
MW347.78 g/mol
LogP0.22
Rot. Bonds3

About (2R,4S)-4-(2-chlorophenyl)sulfonyl-2-(hydrazinecarbonyl)pyrrolidine-1-carboxylic acid

(2R,4S)-4-(2-chlorophenyl)sulfonyl-2-(hydrazinecarbonyl)pyrrolidine-1-carboxylic acid (PubChem CID 140580366) has the molecular formula C12H14ClN3O5S and a molecular weight of 347.78 g/mol. Its IUPAC name is (2R,4S)-4-(2-chlorophenyl)sulfonyl-2-(hydrazinecarbonyl)pyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name(2R,4S)-4-(2-chlorophenyl)sulfonyl-2-(hydrazinecarbonyl)pyrrolidine-1-carboxylic acid
PubChem CID140580366
Molecular FormulaC12H14ClN3O5S
Molecular Weight347.78 g/mol
Exact Mass347.03
IUPAC Name(2R,4S)-4-(2-chlorophenyl)sulfonyl-2-(hydrazinecarbonyl)pyrrolidine-1-carboxylic acid
SMILESNNC(=O)[C@H]1C[C@H](S(=O)(=O)c2ccccc2Cl)CN1C(=O)O
InChIInChI=1S/C12H14ClN3O5S/c13-8-3-1-2-4-10(8)22(20,21)7-5-9(11(17)15-14)16(6-7)12(18)19/h1-4,7,9H,5-6,14H2,(H,15,17)(H,18,19)/t7-,9+/m0/s1
InChIKeyLFHHGGHCCWPFRE-IONNQARKSA-N
XLogP0.22
TPSA129.80 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.78
LogP ≤ 50.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-(2-chlorophenyl)sulfonyl-N-(1-cyanocyclopropyl)-1-(cyclopropanecarbonyl)pyrrolidine-2-carboxamide
CID 91423276
methyl (2S,4R)-4-(2-chlorophenyl)sulfonyl-2-[(1-cyanocyclopropyl)carbamoyl]pyrrolidine-1-carboxylate
CID 46947221
(2S,4R)-4-(2-chlorophenyl)sulfonyl-1-(1-methylpiperidine-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 68500402
1-O-tert-butyl 2-O-methyl (2S,4R)-4-(2-chlorophenyl)sulfonylpyrrolidine-1,2-dicarboxylate
CID 66770853
(2S,4R)-4-(benzenesulfonyl)pyrrolidine-1,2-dicarboxylic acid
CID 91572631
(2S,4R)-4-(2-chlorophenyl)sulfonyl-N-(1-cyanocyclopropyl)-1-(1-phenylcyclobutanecarbonyl)pyrrolidine-2-carboxamide
CID 51033209
(2S,4R)-4-(2-chlorophenyl)sulfonyl-1-(oxetan-3-yl)pyrrolidine-2-carboxylic acid
CID 142763114
2-tert-butyl-4-[1-[(2S,4R)-4-(2-chlorophenyl)sulfonyl-2-[(1-cyanocyclopropyl)carbamoyl]pyrrolidine-1-carbonyl]cyclopropyl]piperazine-1-carboxylic acid
CID 121281660
(2S,4R)-4-(2-chlorophenyl)sulfonyl-N-(cyanomethyl)-1-(4-fluorobenzoyl)pyrrolidine-2-carboxamide
CID 59543606
1-[1-(4-chlorophenyl)cyclobutanecarbonyl]-4-(2-chlorophenyl)sulfonyl-N-(1-cyanocyclopropyl)pyrrolidine-2-carboxamide
CID 75600747
(2S,4R)-4-(2-prop-2-enoxyphenyl)sulfonylpyrrolidine-1,2-dicarboxylic acid
CID 90739807
4-(2-chlorophenyl)sulfonyl-1-[2-(5-chloropyrimidin-2-yl)acetyl]-N-(1-methylcyclopropyl)pyrrolidine-2-carboxamide
CID 91167510

Frequently Asked Questions

What is the IUPAC name of (2R,4S)-4-(2-chlorophenyl)sulfonyl-2-(hydrazinecarbonyl)pyrrolidine-1-carboxylic acid?
The IUPAC name of (2R,4S)-4-(2-chlorophenyl)sulfonyl-2-(hydrazinecarbonyl)pyrrolidine-1-carboxylic acid (CID 140580366) is (2R,4S)-4-(2-chlorophenyl)sulfonyl-2-(hydrazinecarbonyl)pyrrolidine-1-carboxylic acid.
What is the SMILES notation for (2R,4S)-4-(2-chlorophenyl)sulfonyl-2-(hydrazinecarbonyl)pyrrolidine-1-carboxylic acid?
The canonical SMILES for (2R,4S)-4-(2-chlorophenyl)sulfonyl-2-(hydrazinecarbonyl)pyrrolidine-1-carboxylic acid is NNC(=O)[C@H]1C[C@H](S(=O)(=O)c2ccccc2Cl)CN1C(=O)O.
What is the InChIKey of (2R,4S)-4-(2-chlorophenyl)sulfonyl-2-(hydrazinecarbonyl)pyrrolidine-1-carboxylic acid?
The InChIKey is LFHHGGHCCWPFRE-IONNQARKSA-N. The full InChI is InChI=1S/C12H14ClN3O5S/c13-8-3-1-2-4-10(8)22(20,21)7-5-9(11(17)15-14)16(6-7)12(18)19/h1-4,7,9H,5-6,14H2,(H,15,17)(H,18,19)/t7-,9+/m0/s1.
What are the key properties of (2R,4S)-4-(2-chlorophenyl)sulfonyl-2-(hydrazinecarbonyl)pyrrolidine-1-carboxylic acid?
(2R,4S)-4-(2-chlorophenyl)sulfonyl-2-(hydrazinecarbonyl)pyrrolidine-1-carboxylic acid has a molecular weight of 347.78 g/mol, XLogP of 0.22, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-4-(2-chlorophenyl)sulfonyl-2-(hydrazinecarbonyl)pyrrolidine-1-carboxylic acid is sourced from PubChem (CID 140580366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).